N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C24H27N3O3S — CID 55801899

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)NCc3ccc(OC4CCCC4)nc3)cs2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-29-20-10-8-18(9-11-20)24-27-19(16-31-24)13-22(28)25-14-17-7-12-23(26-15-17)30-21-5-3-4-6-21/h7-12,15-16,21H,2-6,13-14H2,1H3,(H,25,28)
InChIKeyCXUVGMQNNXVILW-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.78
Rot. Bonds9

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55801899) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55801899
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)NCc3ccc(OC4CCCC4)nc3)cs2)cc1
InChIInChI=1S/C24H27N3O3S/c1-2-29-20-10-8-18(9-11-20)24-27-19(16-31-24)13-22(28)25-14-17-7-12-23(26-15-17)30-21-5-3-4-6-21/h7-12,15-16,21H,2-6,13-14H2,1H3,(H,25,28)
InChIKeyCXUVGMQNNXVILW-UHFFFAOYSA-N
XLogP4.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
CID 119513323
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55800689
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55662555
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120573914
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119571076
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253437

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 55801899) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(-c2nc(CC(=O)NCc3ccc(OC4CCCC4)nc3)cs2)cc1.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CXUVGMQNNXVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-2-29-20-10-8-18(9-11-20)24-27-19(16-31-24)13-22(28)25-14-17-7-12-23(26-15-17)30-21-5-3-4-6-21/h7-12,15-16,21H,2-6,13-14H2,1H3,(H,25,28).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55801899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).